Sugi Predict

Sugi Predict / Compounds / SCHEMBL2080950

SCHEMBL2080950

SCHEMBL2080950

NC(=O)CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 7/20 0.63
▸ ALDH1A1 P00352 7/20 0.63
▸ MAPK1 P28482 4/20 0.63
▸ MAPT P10636 7/20 0.60
▸ KMT2A Q03164 5/20 0.60
▸ MEN1 O00255 4/20 0.60
▸ GAA P10253 2/20 0.60
▸ LMNA P02545 8/20 0.60
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ POLB P06746 2/20 0.59
▸ HTT P42858 3/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ BLM P54132 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ TP53 P04637 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3435506 0.90 MAPT (0.65) L3MBTL1ALDH1A1MAPK1MAPTKMT2A
SCHEMBL2080668 0.85 MAPT (0.53) L3MBTL1ALDH1A1MAPK1MAPTKMT2A
SCHEMBL3436159 0.85 MAPT (0.61) L3MBTL1ALDH1A1MAPK1MAPTKMT2A
SCHEMBL3436164 0.85 LMNA (0.54) L3MBTL1ALDH1A1MAPK1MAPTKMT2A
SCHEMBL3436144 0.83 MAPT (0.65) L3MBTL1ALDH1A1MAPK1MAPTKMT2A
SCHEMBL2076697 0.83 MAPT (0.64) L3MBTL1ALDH1A1MAPK1MAPTKMT2A
SCHEMBL3435484 0.82 ALDH1A1 (0.51) L3MBTL1ALDH1A1MAPK1MAPTKMT2A
SCHEMBL3435951 0.82 MAPT (0.48) L3MBTL1ALDH1A1MAPK1MAPTKMT2A
SCHEMBL3435109 0.82 MAPT (0.67) L3MBTL1ALDH1A1MAPK1MAPTKMT2A
SCHEMBL3435561 0.82 MAPT (0.54) L3MBTL1ALDH1A1MAPK1MAPTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101426774-B Azolecarboxamide derivative ASTELLAS PHARMA INC 2012-04-25 — — CN disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 — — US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 — — US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 — — US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 — — US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 — — US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 — — US disclosed
CN-101426774-A Azolecarboxamide derivative ASTELLAS PHARMA INC (JP) 2009-05-06 — — CN disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 L3MBTL1 3267/4885ALDH1A1 975/4885MAPK1 1316/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.